In silico investigation of potential SRC kinase ligands from traditional Chinese medicine

Src kinase is an attractive target for drug development based on its established relationship with cancer and possible link to hypertension. The suitability of traditional Chinese medicine (TCM) compounds as potential drug ligands for further biological evaluation was investigated using structure-ba...

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Veröffentlicht in:	PloS one 2012-03, Vol.7 (3), p.e33728
Hauptverfasser:	Tou, Weng Ieong, Chen, Calvin Yu-Chian
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Analysis ATP Benzodioxoles - chemistry Benzofurans - chemistry Binding Sites Biology Cancer Catalysis Catalytic Domain Chemical bonds Chemistry Chinese medicine Clinical trials Computer Science Coumarins - chemistry Dipeptides - chemistry Docking Drug development Dynamic stability Dynamic structural analysis Glucosides - chemistry Herbal medicine Hydrogen Hydrogen Bonding Hydrogen bonds Hydrophobic and Hydrophilic Interactions Hydrophobicity Hypertension Kinases Laboratories Library collections Ligands Medicine Medicine, Chinese Traditional Metabolism Molecular dynamics Molecular Dynamics Simulation Molecular structure Natural products Phosphorylation Physiology Proteins Quantitative Structure-Activity Relationship Quinazolines - chemistry R&D Research & development src-Family Kinases - antagonists & inhibitors src-Family Kinases - metabolism Structure-activity relationships Thermodynamics Traditional Chinese medicine
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